专题：X-ray Diffraction in Crystallography

This cluster of papers focuses on the advances in powder diffraction analysis, including topics such as crystallography, structure determination, pair distribution function, nanoparticles, Rietveld refinement, total scattering, high-resolution X-ray diffraction, and quantitative phase analysis.
最新文献
From prediction to understanding: A review of XAI applications and innovations in materials science

article Full Text OpenAlex

AutoSolveX: a Python-based pipeline for automated structure solution, refinement, and guest identification from diffraction data

article Full Text OpenAlex

A new method to measure pore radius distribution of powders

article Full Text OpenAlex

Artificial Intelligence in Materials by Design: Critical Review And Perspectives on Materials Informatics to Generative and Agentic Intelligence

article Full Text OpenAlex

Nanococrystals in Pharmaceutical Development: Design, Characterization, and Applications

article Full Text OpenAlex

Bridging theory and experiment in materials discovery: Machine-learning-assisted prediction of synthesizable structures

article Full Text OpenAlex

From crystal structure prediction to polymorphic behaviour: Monte Carlo threshold mapping of crystal energy landscapes

article Full Text OpenAlex

A best-practices guide to X-ray diffraction studies of sedimentary carbonates

article Full Text OpenAlex

Continued Challenges in High-Throughput Materials Predictions: MatterGen predicts compounds from the training dataset.

article Full Text OpenAlex

Recent Progress in Metal–Organic Frameworks and Their Derivatives for Lithium‐Ion Batteries

article Full Text OpenAlex

近5年高被引文献
Recent advances and applications of deep learning methods in materials science

article Full Text OpenAlex 974 FWCI68.9333

A universal graph deep learning interatomic potential for the periodic table

article Full Text OpenAlex 775 FWCI52.5242

An autonomous laboratory for the accelerated synthesis of inorganic materials

article Full Text OpenAlex 702 FWCI68.0923

CHGNet as a pretrained universal neural network potential for charge-informed atomistic modelling

article Full Text OpenAlex 655 FWCI63.4297

X-ray Diffraction Techniques for Mineral Characterization: A Review for Engineers of the Fundamentals, Applications, and Research Directions

review Full Text OpenAlex 577 FWCI39.5617

Chiral Metal–Organic Frameworks

review Full Text OpenAlex 499 FWCI35.1921

DeePMD-kit v2: A software package for deep potential models

article Full Text OpenAlex 471 FWCI45.6113

Jana2020 – a new version of the crystallographic computing system Jana

article Full Text OpenAlex 399 FWCI38.702

Towards universal neural network potential for material discovery applicable to arbitrary combination of 45 elements

article Full Text OpenAlex 368 FWCI25.3255

Morphology control through the synthesis of metal-organic frameworks

review Full Text OpenAlex 312 FWCI31.7066